5-methyl-4-(2-methylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-methyl-4-(2-methylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-methyl-4-(o-tolyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(2-methylphenyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-(2-methylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-methyl-4-(o-tolyl)-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C19H23N7S MolecularWeight: 381.49782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C19H23N7S/c1-15-6-3-4-7-17(15)26-16(2)22-25(19(26)27)14-23-10-12-24(13-11-23)18-20-8-5-9-21-18/h3-9H,10-14H2,1-2H3